3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one

C26H17Cl2NO2 — CID 165369283

IUPAC3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one
SMILESCOn1c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c2cc3cccccc-3c2c1=O
InChIInChI=1S/C26H17Cl2NO2/c1-31-29-25(18-9-6-11-20(28)14-18)23(17-8-5-10-19(27)13-17)22-15-16-7-3-2-4-12-21(16)24(22)26(29)30/h2-15H,1H3
InChIKeyZIOSLHCRVSLIGJ-UHFFFAOYSA-N
MW446.33 g/mol
LogP6.81
Rot. Bonds3

About 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one

3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one (PubChem CID 165369283) has the molecular formula C26H17Cl2NO2 and a molecular weight of 446.33 g/mol. Its IUPAC name is 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one.

Molecular Properties

Compound Name3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one
PubChem CID165369283
Molecular FormulaC26H17Cl2NO2
Molecular Weight446.33 g/mol
Exact Mass445.06
IUPAC Name3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one
SMILESCOn1c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c2cc3cccccc-3c2c1=O
InChIInChI=1S/C26H17Cl2NO2/c1-31-29-25(18-9-6-11-20(28)14-18)23(17-8-5-10-19(27)13-17)22-15-16-7-3-2-4-12-21(16)24(22)26(29)30/h2-15H,1H3
InChIKeyZIOSLHCRVSLIGJ-UHFFFAOYSA-N
XLogP6.81
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.33
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102263172

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one?
The IUPAC name of 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one (CID 165369283) is 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one.
What is the SMILES notation for 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one?
The canonical SMILES for 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one is COn1c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c2cc3cccccc-3c2c1=O.
What is the InChIKey of 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one?
The InChIKey is ZIOSLHCRVSLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2NO2/c1-31-29-25(18-9-6-11-20(28)14-18)23(17-8-5-10-19(27)13-17)22-15-16-7-3-2-4-12-21(16)24(22)26(29)30/h2-15H,1H3.
What are the key properties of 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one?
3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one has a molecular weight of 446.33 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one is sourced from PubChem (CID 165369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).